5-ethenyl-2-hexylthieno[3,2-b]thiophene

C14H18S2 — CID 141281764

IUPAC5-ethenyl-2-hexylthieno[3,2-b]thiophene
SMILESC=Cc1cc2sc(CCCCCC)cc2s1
InChIInChI=1S/C14H18S2/c1-3-5-6-7-8-12-10-14-13(16-12)9-11(4-2)15-14/h4,9-10H,2-3,5-8H2,1H3
InChIKeySIOACLINDLPRQU-UHFFFAOYSA-N
MW250.43 g/mol
LogP5.73
Rot. Bonds6

About 5-ethenyl-2-hexylthieno[3,2-b]thiophene

5-ethenyl-2-hexylthieno[3,2-b]thiophene (PubChem CID 141281764) has the molecular formula C14H18S2 and a molecular weight of 250.43 g/mol. Its IUPAC name is 5-ethenyl-2-hexylthieno[3,2-b]thiophene.

Molecular Properties

Compound Name5-ethenyl-2-hexylthieno[3,2-b]thiophene
PubChem CID141281764
Molecular FormulaC14H18S2
Molecular Weight250.43 g/mol
Exact Mass250.08
IUPAC Name5-ethenyl-2-hexylthieno[3,2-b]thiophene
SMILESC=Cc1cc2sc(CCCCCC)cc2s1
InChIInChI=1S/C14H18S2/c1-3-5-6-7-8-12-10-14-13(16-12)9-11(4-2)15-14/h4,9-10H,2-3,5-8H2,1H3
InChIKeySIOACLINDLPRQU-UHFFFAOYSA-N
XLogP5.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.43
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,5-dioctylthieno[3,2-b]thiophene
CID 139270896
2-ethenyl-5-hexylthiophene
CID 102047565
4,11-dioctyl-3,7,10,14-tetrathiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaene
CID 130376551
5-ethynyl-2-pentylthieno[3,2-b]thiophene
CID 141472920
2-heptyl-5-hexan-2-ylthieno[3,2-b]thiophene
CID 173421142
5-[(3-bromo-5-dodecylthiophen-2-yl)-hydroxymethyl]thieno[3,2-b]thiophene-2-carbaldehyde
CID 153498408
5-pentyl-2-(2-pentylthieno[3,2-b]thiophen-5-yl)pyrimidine
CID 70491130
3-bromo-5-octylthieno[3,2-b]thiophene
CID 135070013
2,5-diheptylthiophene
CID 607114
4,10-dibutyl-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene
CID 132606259
6,17-dioctyl-7,11,18,22-tetrathiahexacyclo[10.10.0.02,10.04,8.013,21.015,19]docosa-1(12),2(10),3,5,8,13(21),14,16,19-nonaene
CID 70836998
2,5-bis(5-octylthiophen-2-yl)thieno[3,2-b]thiophene
CID 71014668

Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-2-hexylthieno[3,2-b]thiophene?
The IUPAC name of 5-ethenyl-2-hexylthieno[3,2-b]thiophene (CID 141281764) is 5-ethenyl-2-hexylthieno[3,2-b]thiophene.
What is the SMILES notation for 5-ethenyl-2-hexylthieno[3,2-b]thiophene?
The canonical SMILES for 5-ethenyl-2-hexylthieno[3,2-b]thiophene is C=Cc1cc2sc(CCCCCC)cc2s1.
What is the InChIKey of 5-ethenyl-2-hexylthieno[3,2-b]thiophene?
The InChIKey is SIOACLINDLPRQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18S2/c1-3-5-6-7-8-12-10-14-13(16-12)9-11(4-2)15-14/h4,9-10H,2-3,5-8H2,1H3.
What are the key properties of 5-ethenyl-2-hexylthieno[3,2-b]thiophene?
5-ethenyl-2-hexylthieno[3,2-b]thiophene has a molecular weight of 250.43 g/mol, XLogP of 5.73, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-2-hexylthieno[3,2-b]thiophene is sourced from PubChem (CID 141281764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).